(9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione

C19H19N7O2 — CID 130236143

IUPAC(9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione
SMILESCn1cc2c(n1)C(=O)N/C=C/CCCn1cc(cn1)-c1cccc(n1)C(=O)N2
InChIInChI=1S/C19H19N7O2/c1-25-12-16-17(24-25)19(28)20-8-3-2-4-9-26-11-13(10-21-26)14-6-5-7-15(22-14)18(27)23-16/h3,5-8,10-12H,2,4,9H2,1H3,(H,20,28)(H,23,27)/b8-3+
InChIKeyQGZNPZSYKOFLKZ-FPYGCLRLSA-N
MW377.41 g/mol
LogP1.97
Rot. Bonds

About (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione

(9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione (PubChem CID 130236143) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione.

Molecular Properties

Compound Name(9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione
PubChem CID130236143
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name(9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione
SMILESCn1cc2c(n1)C(=O)N/C=C/CCCn1cc(cn1)-c1cccc(n1)C(=O)N2
InChIInChI=1S/C19H19N7O2/c1-25-12-16-17(24-25)19(28)20-8-3-2-4-9-26-11-13(10-21-26)14-6-5-7-15(22-14)18(27)23-16/h3,5-8,10-12H,2,4,9H2,1H3,(H,20,28)(H,23,27)/b8-3+
InChIKeyQGZNPZSYKOFLKZ-FPYGCLRLSA-N
XLogP1.97
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione with MolForge

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Related Compounds

(9Z)-17-methyl-4,5,13,16,17,20,26-heptazatetracyclo[20.3.1.12,5.015,19]heptacosa-1(26),2(27),3,9,15,18,22,24-octaene-14,21-dione
CID 140797929
(8E)-16-methyl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,8,14,17,21,23-octaene-13,20-dione
CID 122472100
(8Z)-16-methyl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,8,14,17,21,23-octaene-13,20-dione
CID 122472102
(9Z)-16,25-dimethyl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(24),2(26),3,9,14,17,22-heptaene-13,20-dione
CID 152958648
16-(oxan-4-yl)-9,9-dioxo-9λ6-thia-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;16-(oxan-4-yl)-9-oxo-9λ4-thia-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;16-(oxan-4-yl)-9-thia-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
CID 157370042
17-methyl-10-oxa-4,5,7,13,16,17,20-heptazapentacyclo[20.3.1.12,5.17,11.015,19]octacosa-1(26),2(28),3,15,18,22,24-heptaene-14,21-dione
CID 130473835
(18E)-12-(aminomethyl)-19-ethenyl-6-methyl-13-oxa-3,6,7,10,24-pentazatricyclo[18.3.1.04,8]tetracosa-1(23),4,7,18,20(24),21-hexaene-2,9-dione
CID 145134389
10-methyl-3-thia-7,10,11,14,19,21,25-heptazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione
CID 86299140
7,23-dimethyl-3,7,11,19,23,27,33,34-octazatricyclo[27.3.1.113,17]tetratriaconta-1(33),13(34),14,16,29,31-hexaene-2,12,18,28-tetrone
CID 101488986
10-methyl-3-oxa-7,10,11,14,21,23,27-heptazatetracyclo[20.3.1.12,5.08,12]heptacosa-1(26),2(27),4,8,11,22,24-heptaene-6,13-dione
CID 86299494
10,19-dimethyl-3-thia-7,10,11,14,19,21,25-heptazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione
CID 90431295
16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
CID 163896214

Frequently Asked Questions

What is the IUPAC name of (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione?
The IUPAC name of (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione (CID 130236143) is (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione.
What is the SMILES notation for (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione?
The canonical SMILES for (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione is Cn1cc2c(n1)C(=O)N/C=C/CCCn1cc(cn1)-c1cccc(n1)C(=O)N2.
What is the InChIKey of (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione?
The InChIKey is QGZNPZSYKOFLKZ-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-25-12-16-17(24-25)19(28)20-8-3-2-4-9-26-11-13(10-21-26)14-6-5-7-15(22-14)18(27)23-16/h3,5-8,10-12H,2,4,9H2,1H3,(H,20,28)(H,23,27)/b8-3+.
What are the key properties of (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione?
(9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione has a molecular weight of 377.41 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-15-methyl-4,5,11,14,15,18,24-heptazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,9,13,16,20,22-octaene-12,19-dione is sourced from PubChem (CID 130236143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).